2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide

C17H32N2O3S — CID 120574654

IUPAC2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide
SMILESCC(C)C(C(=O)NC1CCCNC1C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C17H32N2O3S/c1-12(2)16(23(21,22)14-8-5-4-6-9-14)17(20)19-15-10-7-11-18-13(15)3/h12-16,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyHBCVVMSRRKAPBG-UHFFFAOYSA-N
MW344.52 g/mol
LogP2.02
Rot. Bonds5

About 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide

2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide (PubChem CID 120574654) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide
PubChem CID120574654
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC Name2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide
SMILESCC(C)C(C(=O)NC1CCCNC1C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C17H32N2O3S/c1-12(2)16(23(21,22)14-8-5-4-6-9-14)17(20)19-15-10-7-11-18-13(15)3/h12-16,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyHBCVVMSRRKAPBG-UHFFFAOYSA-N
XLogP2.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120599357
2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide
CID 120576393
2-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120575422
2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
CID 130763419
N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide
CID 120576561
2-acetamido-2-cyclopentyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120577799
(2R)-2-amino-N-(2-methylpiperidin-3-yl)butanamide
CID 130921760
3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide
CID 120577674
methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate
CID 114695160
3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120577673
(2S)-2-cyclohexylsulfonyl-3-methylbutanoic acid
CID 51889993
2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide
CID 119556569

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide?
The IUPAC name of 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide (CID 120574654) is 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide.
What is the SMILES notation for 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide?
The canonical SMILES for 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide is CC(C)C(C(=O)NC1CCCNC1C)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide?
The InChIKey is HBCVVMSRRKAPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-12(2)16(23(21,22)14-8-5-4-6-9-14)17(20)19-15-10-7-11-18-13(15)3/h12-16,18H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide?
2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide has a molecular weight of 344.52 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide is sourced from PubChem (CID 120574654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).